Ag2BiO3
Silver bismuth oxide is a complex inorganic compound composed of silver, bismuth, and oxygen. It is primarily studied for its potential utility in advanced electronic and catalytic materials due to its unique structural properties.
AgBiO
Overview
Key Properties
Cross-validated computational properties for Ag2BiO3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
0.39–0.51 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.000 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag2BiO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Pnn2 (No. 34) | orthorhombic | 0.39 | 0.0000 | -4.987 | 8.57 |
| Pc (No. 7) | monoclinic | 0.51 | 0.0012 | -4.986 | 8.24 |
| Pnna (No. 52) | orthorhombic | 0.00 | 0.0042 | -4.983 | 8.21 |
| Pnna (No. 52) | — | — | — | — | — |
| Pc (No. 7) | — | — | — | — | — |
| Pc (No. 7) | Monoclinic | — | — | — | 8.24 |
| Pc (No. 7) | Monoclinic | — | — | — | 8.80 |
| Pc (No. 7) | Monoclinic | — | — | — | 8.58 |
Uses
Applications
Where Ag2BiO3 is used.
PhotocatalysisSemiconductor researchElectrochemical sensing
Reference
Frequently Asked Questions
Common questions about Ag2BiO3, answered from cross-validated data.
What is Ag2BiO3?
Silver bismuth oxide is a complex inorganic compound composed of silver, bismuth, and oxygen. It is primarily studied for its potential utility in advanced electronic and catalytic materials due to its unique structural properties.
More questions
What is Ag2BiO3 used for?
Ag2BiO3 is used in photocatalysis, semiconductor research, and electrochemical sensing.
What is the band gap of Ag2BiO3?
Ag2BiO3 has a DFT-computed band gap of 0.39–0.51 eV across 8 reported structures.
Is Ag2BiO3 a metal, semiconductor, or insulator?
With a band gap up to 0.51 eV it is a semiconductor.
Is Ag2BiO3 thermodynamically stable?
Yes — Ag2BiO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag2BiO3?
The lowest-energy reported polymorph of Ag2BiO3 is orthorhombic symmetry, space group Pnn2 (No. 34).
What is the density of Ag2BiO3?
The computed density of the ground-state structure of Ag2BiO3 is 8.57 g/cm³.
How many polymorphs of Ag2BiO3 are known?
8 structures of Ag2BiO3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ag2BiO3 contain?
Ag2BiO3 contains Ag, Bi, and O (3 elements).
Where does the data for Ag2BiO3 come from?
Ag2BiO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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